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Create images of structural formulae from the spectral library

Source: R/createStructuralFormulas.R
createAllStructures.Rd

Uses the spectral library (CSL) to obtain SMILES codes to create PNG images of the structural formulae for all compounds.

Usage

createAllStructures(databasePath, targetDir)

Arguments

databasePath

Path to spectral library (CSL, SQLite format)

targetDir

Path where the PNGs are to be saved